(6alpha,11beta,16alpha)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione | CAS No. 2135-17-3

(6alpha,11beta,16alpha)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione

Basic Information

CAS Number

2135-17-3

Molecular Formula

C22H28F2O5

Molecular Weight

410.46 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

237-240°C

Boiling Point

569.8°C at 760 mmHg

Solubility

acetic acid: soluble10mg/mL

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F

InChI

InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1

InChIKey

WXURHACBFYSXBI-GQKYHHCASA-N

LogP

1.8436999999999997

Topological Polar Surface Area

94.83 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

839

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • RS-2177
  • AKOS005256462
  • DB00663
  • Pregna-1,4-diene-3,20-dione, 6alpha,9-difluoro-11beta,17,21-trihydroxy-16alpha-methyl-(VAN)
  • (1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
  • SMR000058690
  • Fluvet
  • Flumethasone [USAN]
  • (6?,11?,16?)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • HMS2097C10
  • HMS1570C10
  • (6S,9R,10S,11S,13S,16R,17R)-6,9-Difluoro-11,17-dihydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one
  • 2135-17-3
  • Prestwick3_000734
  • 6alpha,9alpha-Difluoro-16alpha-methylprednisolone
  • U-10,974
  • NCGC00021761-03
  • (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
  • LR3CD8SX89
  • 6alpha,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
  • BPBio1_000758
  • 6.alpha.-Fluorodexamethasone
  • 6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • CCG-220734
  • NCGC00016604-01
  • Flumetasona
  • Bimasone
  • Flumetasonum
  • Pregna-1,4-diene-3,20-dione,6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6a,11b,16a)-
  • BSPBio_000688
  • (6alpha,11beta,16alpha)-6,9-difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione

MDL Number

MFCD00056464

Customs Code

2937229000

FAQ

What is (6alpha,11beta,16alpha)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione (CAS: 2135-17-3)?

This steroid compound (CAS: 2135-17-3) is a derivative of progesterone with fluorine atoms at positions 6 and 9, hydroxyl groups at 11, 17, and 21, and a methyl group at 16. It exhibits specific physicochemical properties, including solubility in organic solvents and a molecular weight of approximately 452.45 g/mol. Its structure suggests potential biological activity, making it relevant for research and pharmaceutical applications.

What are the main uses of (6alpha,11beta,16alpha)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione (CAS: 2135-17-3)?

This compound (CAS: 2135-17-3) is primarily used in pharmaceutical research as a synthetic intermediate for hormone-related drug development. It may also find applications in organic synthesis and biochemical studies due to its unique functional groups. Its potential role in steroid chemistry and biological activity makes it a target for exploring therapeutic and industrial uses.

Is (6alpha,11beta,16alpha)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione (CAS: 2135-17-3) safe?

Safety data for this compound (CAS: 2135-17-3) is limited, but as a steroid derivative, it may pose risks such as skin or eye irritation upon exposure. Proper handling requires protective gloves, goggles, and ventilation. Always follow safety guidelines for chemical exposure and consult regulatory standards for its specific use in research or industrial settings.

How should (6alpha,11beta,16alpha)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione (CAS: 2135-17-3) be stored?

This compound (CAS: 2135-17-3) should be stored in a cool, dry, and dark environment to maintain stability. Keep it sealed in airtight containers to prevent moisture absorption and contamination. Avoid exposure to light and heat, and ensure storage conditions comply with chemical safety protocols for long-term preservation.

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